# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_389
_database_code_depnum_ccdc_archive 'CCDC 2115482'
loop_
_audit_author_name
_audit_author_address
'Tomoyo MISAWA-SUZUKI'
;Sophia University
Japan
;
_audit_update_record             
;
2021-10-13 deposited with the CCDC.	2023-02-02 downloaded from the CCDC.
;
_audit_creation_date             2021-08-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_formula_moiety         'C29 H34 N6 O5 Ru2, 2(Cl O4), 2(O)'
_chemical_formula_sum            'C29 H34 Cl2 N6 O15 Ru2'
_chemical_formula_weight         979.66
_chemical_oxdiff_formula         C29H34N6O17Cl3Ru2
_chemical_oxdiff_usercomment     '298 K'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.1701(2)
_cell_length_b                   13.1905(2)
_cell_length_c                   13.4573(3)
_cell_angle_alpha                116.757(2)
_cell_angle_beta                 91.7440(10)
_cell_angle_gamma                98.8400(10)
_cell_volume                     1893.88(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11907
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      75.1200
_cell_measurement_theta_min      3.6660
_exptl_absorpt_coefficient_mu    8.417
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73503
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear intense orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   intense
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_description       block
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.067
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.033
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_unetI/netI     0.0455
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21288
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.669
_diffrn_reflns_theta_min         3.699
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku Saturn724+'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -38.00  35.00   0.50    0.38    --  -42.55  37.00 -30.00  146
  2  ω    -31.00  25.00   0.50    0.38    --  -42.55  93.00-136.00  112
  3  ω    -30.00  35.00   0.50    0.38    --  -42.55  37.00-150.00  130
  4  ω    -24.00  35.00   0.50    0.38    --  -42.55  19.00 -60.00  118
  5  ω    -44.00 -18.00   0.50    3.00    --  -90.25  45.00  30.00   52
  6  ω    -47.00 -22.00   0.50    3.00    --  -90.25  45.00  90.00   50
  7  ω    -48.00 -23.00   0.50    3.00    --  -90.25  45.00 150.00   50
  8  ω    -48.00 -16.00   0.50    3.00    --  -90.25  45.00  60.00   64
  9  ω    -48.00 -14.00   0.50    3.00    --  -90.25  45.00 -60.00   68
 10  ω    -52.00 -26.00   0.50    3.00    --  -90.25  93.00-136.00   52
 11  ω    -76.00 -34.00   0.50    0.38    --  -42.55  93.00-136.00   84
 12  ω     68.00 104.00   0.50    0.38    --   42.55 178.00 -60.00   72
 13  ω    118.00 146.00   0.50    3.00    --  109.88  93.00-136.00   56
 14  ω    150.00 176.00   0.50    3.00    --  109.88  93.00-136.00   52
 15  ω    141.00 178.00   0.50    3.00    --  109.88  45.00 -90.00   74
 16  ω    128.00 174.00   0.50    3.00    --  109.88  45.00   0.00   92
 17  ω    120.00 178.00   0.50    3.00    --  109.88 125.00 -30.00  116
 18  ω     97.00 176.00   0.50    3.00    --  109.88 125.00  60.00  158
 19  ω    100.00 170.00   0.50    3.00    --  109.88  30.00  30.00  140
 20  ω     88.00 178.00   0.50    3.00    --  109.88  45.00 -60.00  180
 21  ω     99.00 133.00   0.50    3.00    --  109.88  45.00 -90.00   68
 22  ω     89.00 119.00   0.50    3.00    --  109.88  45.00   0.00   60
 23  ω     38.00  65.00   0.50    3.00    --  109.88 -61.00-150.00   54
 24  ω     76.00 102.00   0.50    3.00    --  109.88 -94.00-150.00   52
 25  ω     72.00  98.00   0.50    3.00    --  109.88 -77.00 -60.00   52
 26  ω     46.00 100.00   0.50    3.00    --  109.88 -94.00 -90.00  108
 27  ω     44.00  69.00   0.50    3.00    --  109.88 -94.00-150.00   50
 28  ω     36.00 104.00   0.50    3.00    --  109.88 -94.00 -30.00  136
 29  ω     77.00 104.00   0.50    3.00    --  109.88 -94.00  60.00   54
 30  ω     60.00 103.00   0.50    3.00    --  109.88 -93.00 111.00   86
 31  ω     76.00 104.00   0.50    3.00    --  109.88 -94.00 150.00   56
 32  ω     41.00  67.00   0.50    3.00    --  109.88 -94.00  60.00   52
 33  ω     44.00  89.00   0.50    3.00    --  109.88 -94.00  90.00   90
 34  ω     47.00  99.00   0.50    3.00    --  109.88 -94.00  30.00  104
 35  ω     42.00  68.00   0.50    3.00    --  109.88 -77.00  60.00   52
 36  ω     40.00  66.00   0.50    3.00    --  109.88 -61.00   0.00   52
 37  ω      9.00  68.00   0.50    0.38    --   42.55 -93.00 111.00  118
 38  ω     38.00  74.00   0.50    3.00    --  109.88 -77.00 150.00   72
 39  ω     37.00  62.00   0.50    3.00    --  109.88 -61.00 150.00   50
 40  ω     65.00 116.00   0.50    0.38    --   42.55 178.00-180.00  102
 41  ω   -136.00 -85.00   0.50    3.00    --  -90.25 -93.00 111.00  102
 42  ω   -164.00-122.00   0.50    3.00    --  -90.25 -94.00   0.00   84
 43  ω   -148.00 -90.00   0.50    3.00    --  -90.25 -94.00-150.00  116
;
_diffrn_measurement_device       'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1164612000
_diffrn_orient_matrix_UB_12      0.0701247000
_diffrn_orient_matrix_UB_13      0.0602147000
_diffrn_orient_matrix_UB_21      -0.0265260000
_diffrn_orient_matrix_UB_22      -0.0180269000
_diffrn_orient_matrix_UB_23      0.1027739000
_diffrn_orient_matrix_UB_31      0.0485453000
_diffrn_orient_matrix_UB_32      -0.1117562000
_diffrn_orient_matrix_UB_33      -0.0496042000
_diffrn_oxdiff_digest_frames     
;
017a7dbaab7d9d4e3a2385158df93d825a03636c68c
;
_diffrn_oxdiff_digest_hkl        
;
01c7df0ba54970fbb09a0fcf714c189d6906c8
;
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'Rotating Anode'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6545
_reflns_number_total             7562
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_data_collection       'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.274
_refine_diff_density_min         -0.816
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     489
_refine_ls_number_reflns         7562
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0404
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.066
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0686P)²+1.2584P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1153
_refine_ls_wR_factor_ref         0.1198
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C18(H18A,H18B), C15(H15A,H15B), C3(H3A,H3B), C1(H1A,H1B),
 C17(H17A,H17B)
2.b Aromatic/amide H refined with riding coordinates:
 C14(H14), C23(H23), C9(H9), C20(H20), C28(H28), C8(H8), C11(H11), C22(H22),
 C13(H13), C7(H7), C12(H12), C27(H27), C21(H21), C6(H6), C26(H26), C25(H25)
2.c Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C2(H2A,H2B,H2C)
;
# start Validation Reply Form
_vrf_PLAT306_exp_389             
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O14(O15)
Check 
RESPONSE: O14(O15) should be a water molecule, but two H-atoms could not
be added to O14(O15). 
;
_vrf_PLAT430_exp_389             
;
PROBLEM: Short Inter D...A Contact  O5       ..O15      .       2.75 Ang.  
RESPONSE: O15 should be a water molecule, though two H-atoms were not
found.
;
# end Validation Reply Form
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.30933(2) 0.23078(2) 0.73142(2) 0.03589(10) Uani 1 1 d . . . . .
Ru2 Ru 0.29620(2) 0.42455(2) 0.76326(2) 0.03586(10) Uani 1 1 d . . . . .
Cl2 Cl 0.03034(13) -0.23253(11) 0.64771(14) 0.0826(4) Uani 1 1 d . . . . .
Cl1 Cl 0.57883(13) 0.81651(13) 0.70947(13) 0.0776(4) Uani 1 1 d . . . . .
O2 O 0.2889(2) 0.2874(2) 0.6259(2) 0.0403(5) Uani 1 1 d . . . . .
O4 O 0.4649(2) 0.4598(2) 0.7715(3) 0.0457(6) Uani 1 1 d . . . . .
O1 O 0.3053(2) 0.3653(2) 0.8694(2) 0.0429(6) Uani 1 1 d . . . . .
O3 O 0.4782(2) 0.2798(2) 0.7476(2) 0.0442(6) Uani 1 1 d . . . . .
O5 O 0.6281(2) 0.4088(3) 0.7747(3) 0.0549(7) Uani 1 1 d . . . . .
N3 N 0.1403(3) 0.1628(3) 0.7141(3) 0.0426(7) Uani 1 1 d . . . . .
N2 N 0.3290(3) 0.0728(3) 0.6007(3) 0.0427(7) Uani 1 1 d . . . . .
N1 N 0.3110(3) 0.1314(3) 0.8212(3) 0.0453(7) Uani 1 1 d . . . . .
N5 N 0.3011(3) 0.5919(3) 0.8912(3) 0.0427(7) Uani 1 1 d . . . . .
N4 N 0.2675(3) 0.5086(3) 0.6631(3) 0.0420(7) Uani 1 1 d . . . . .
N6 N 0.1245(3) 0.4132(3) 0.7641(3) 0.0440(7) Uani 1 1 d . . . . .
C29 C 0.5256(3) 0.3836(3) 0.7654(3) 0.0411(8) Uani 1 1 d . . . . .
C5 C 0.3268(3) -0.0152(3) 0.6251(4) 0.0470(9) Uani 1 1 d . . . . .
C14 C 0.0636(3) 0.1493(3) 0.6328(3) 0.0458(8) Uani 1 1 d . . . . .
H14 H 0.085626 0.171598 0.578882 0.055 Uiso 1 1 calc R . . . .
C23 C 0.3102(4) 0.6208(4) 1.0020(4) 0.0494(9) Uani 1 1 d . . . . .
H23 H 0.324636 0.566628 1.024660 0.059 Uiso 1 1 calc R . . . .
C9 C 0.3479(3) 0.0581(4) 0.4973(4) 0.0481(9) Uani 1 1 d . . . . .
H9 H 0.350603 0.120069 0.481449 0.058 Uiso 1 1 calc R . . . .
C10 C 0.1103(3) 0.1284(3) 0.7911(4) 0.0472(9) Uani 1 1 d . . . . .
C20 C 0.2651(4) 0.7780(4) 0.9349(5) 0.0618(12) Uani 1 1 d . . . . .
H20 H 0.248720 0.830541 0.910809 0.074 Uiso 1 1 calc R . . . .
C4 C 0.2042(3) 0.1442(4) 0.8756(4) 0.0491(9) Uani 1 1 d . . . . .
H4A H 0.212723 0.220225 0.939421 0.059 Uiso 1 1 calc R . . . .
H4B H 0.187157 0.086784 0.901995 0.059 Uiso 1 1 calc R . . . .
C18 C 0.1504(4) 0.4535(4) 0.6069(4) 0.0538(10) Uani 1 1 d . . . . .
H18A H 0.150830 0.379202 0.543126 0.065 Uiso 1 1 calc R . . . .
H18B H 0.121496 0.502089 0.579716 0.065 Uiso 1 1 calc R . . . .
C24 C 0.0760(3) 0.4370(4) 0.6878(4) 0.0538(10) Uani 1 1 d . . . . .
C28 C 0.0658(4) 0.3962(3) 0.8396(4) 0.0541(10) Uani 1 1 d . . . . .
H28 H 0.101899 0.383684 0.893837 0.065 Uiso 1 1 calc R . . . .
C19 C 0.2797(3) 0.6697(3) 0.8583(4) 0.0480(9) Uani 1 1 d . . . . .
C8 C 0.3632(4) -0.0470(4) 0.4147(4) 0.0595(11) Uani 1 1 d . . . . .
H8 H 0.376234 -0.056063 0.343704 0.071 Uiso 1 1 calc R . . . .
C11 C 0.0008(4) 0.0810(4) 0.7907(5) 0.0590(11) Uani 1 1 d . . . . .
H11 H -0.019441 0.057824 0.844403 0.071 Uiso 1 1 calc R . . . .
C22 C 0.2985(4) 0.7290(4) 1.0812(4) 0.0612(11) Uani 1 1 d . . . . .
H22 H 0.306501 0.748389 1.156888 0.073 Uiso 1 1 calc R . . . .
C15 C 0.3472(4) 0.4880(4) 0.5744(4) 0.0573(10) Uani 1 1 d . . . . .
H15A H 0.422539 0.523933 0.611639 0.069 Uiso 1 1 calc R . . . .
H15B H 0.345238 0.405467 0.532781 0.069 Uiso 1 1 calc R . . . .
C3 C 0.3065(5) 0.0064(4) 0.7412(4) 0.0631(12) Uani 1 1 d . . . . .
H3A H 0.362100 -0.022366 0.769588 0.076 Uiso 1 1 calc R . . . .
H3B H 0.233582 -0.037036 0.738532 0.076 Uiso 1 1 calc R . . . .
C13 C -0.0474(4) 0.1028(4) 0.6284(4) 0.0566(10) Uani 1 1 d . . . . .
H13 H -0.100183 0.094612 0.572584 0.068 Uiso 1 1 calc R . . . .
O13 O 0.0834(5) -0.1664(5) 0.7583(5) 0.1178(19) Uani 1 1 d . . . . .
C7 C 0.3590(4) -0.1385(4) 0.4388(5) 0.0661(13) Uani 1 1 d . . . . .
H7 H 0.368493 -0.210344 0.383979 0.079 Uiso 1 1 calc R . . . .
C12 C -0.0782(4) 0.0691(4) 0.7075(5) 0.0648(12) Uani 1 1 d . . . . .
H12 H -0.152663 0.037935 0.705639 0.078 Uiso 1 1 calc R . . . .
C1 C 0.4102(4) 0.1783(5) 0.9084(5) 0.0644(12) Uani 1 1 d . . . . .
H1A H 0.410544 0.259500 0.956650 0.077 Uiso 1 1 calc R . . . .
H1B H 0.477654 0.173303 0.871204 0.077 Uiso 1 1 calc R . . . .
C27 C -0.0472(4) 0.3971(5) 0.8382(5) 0.0726(15) Uani 1 1 d . . . . .
H27 H -0.087910 0.384310 0.890244 0.087 Uiso 1 1 calc R . . . .
C21 C 0.2749(5) 0.8079(4) 1.0474(5) 0.0684(14) Uani 1 1 d . . . . .
H21 H 0.265714 0.880938 1.099903 0.082 Uiso 1 1 calc R . . . .
C16 C 0.3231(6) 0.5331(5) 0.4922(5) 0.0729(14) Uani 1 1 d . . . . .
H16A H 0.380931 0.521991 0.443383 0.109 Uiso 1 1 calc GR . . . .
H16B H 0.320991 0.613987 0.532484 0.109 Uiso 1 1 calc GR . . . .
H16C H 0.252220 0.491931 0.448711 0.109 Uiso 1 1 calc GR . . . .
C6 C 0.3407(4) -0.1225(4) 0.5450(5) 0.0617(12) Uani 1 1 d . . . . .
H6 H 0.337616 -0.183404 0.562505 0.074 Uiso 1 1 calc R . . . .
C17 C 0.2799(5) 0.6360(4) 0.7367(4) 0.0619(12) Uani 1 1 d . . . . .
H17A H 0.349504 0.674552 0.725652 0.074 Uiso 1 1 calc R . . . .
H17B H 0.219248 0.663259 0.713474 0.074 Uiso 1 1 calc R . . . .
C26 C -0.0990(4) 0.4174(5) 0.7575(7) 0.090(2) Uani 1 1 d . . . . .
H26 H -0.175634 0.416542 0.753803 0.108 Uiso 1 1 calc R . . . .
C25 C -0.0376(4) 0.4387(5) 0.6832(6) 0.0760(16) Uani 1 1 d . . . . .
H25 H -0.071757 0.454255 0.630123 0.091 Uiso 1 1 calc R . . . .
O9 O 0.5495(7) 0.7608(5) 0.5904(5) 0.135(2) Uani 1 1 d . . . . .
O8 O 0.4872(7) 0.8530(9) 0.7579(7) 0.171(4) Uani 1 1 d . . . . .
C2 C 0.4145(5) 0.1181(7) 0.9807(6) 0.0854(17) Uani 1 1 d . . . . .
H2A H 0.420936 0.039080 0.934906 0.128 Uiso 1 1 calc GR . . . .
H2B H 0.347210 0.120408 1.016550 0.128 Uiso 1 1 calc GR . . . .
H2C H 0.477982 0.156473 1.036676 0.128 Uiso 1 1 calc GR . . . .
O7 O 0.6594(9) 0.9096(7) 0.7424(7) 0.210(5) Uani 1 1 d . . . . .
O6 O 0.6024(9) 0.7331(7) 0.7354(8) 0.178(4) Uani 1 1 d . . . . .
O10 O 0.0490(12) -0.1753(7) 0.5866(7) 0.215(5) Uani 1 1 d . . . . .
O11 O -0.0808(8) -0.2282(13) 0.6470(11) 0.264(7) Uani 1 1 d . . . . .
O12 O 0.0348(11) -0.3415(6) 0.6026(9) 0.252(7) Uani 1 1 d . . . . .
O15 O 0.2685(5) 0.3651(4) 1.1529(5) 0.1108(17) Uani 1 1 d . . . . .
O14 O -0.1493(8) -0.0549(10) 0.9185(9) 0.201(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 Ru2 2.4261(3) .
Ru1 O2 1.905(3) .
Ru1 O1 1.914(3) .
Ru1 O3 2.031(3) .
Ru1 N3 2.076(3) .
Ru1 N2 2.091(3) .
Ru1 N1 2.147(3) .
Ru2 O2 1.904(3) .
Ru2 O4 2.022(3) .
Ru2 O1 1.919(3) .
Ru2 N5 2.091(3) .
Ru2 N4 2.146(3) .
Ru2 N6 2.072(3) .
Cl2 O13 1.411(5) .
Cl2 O10 1.347(9) .
Cl2 O11 1.362(9) .
Cl2 O12 1.295(6) .
Cl1 O9 1.436(6) .
Cl1 O8 1.352(6) .
Cl1 O7 1.334(7) .
Cl1 O6 1.360(7) .
O4 C29 1.312(4) .
O3 C29 1.311(5) .
O5 C29 1.228(5) .
N3 C14 1.346(5) .
N3 C10 1.344(6) .
N2 C5 1.338(5) .
N2 C9 1.348(6) .
N1 C4 1.506(5) .
N1 C3 1.500(6) .
N1 C1 1.499(6) .
N5 C23 1.358(6) .
N5 C19 1.342(5) .
N4 C18 1.501(5) .
N4 C15 1.515(6) .
N4 C17 1.497(5) .
N6 C24 1.346(6) .
N6 C28 1.339(6) .
C5 C3 1.493(7) .
C5 C6 1.379(6) .
C14 C13 1.383(6) .
C23 C22 1.377(6) .
C9 C8 1.377(6) .
C10 C4 1.508(6) .
C10 C11 1.381(6) .
C20 C19 1.378(6) .
C20 C21 1.378(8) .
C18 C24 1.505(7) .
C24 C25 1.387(6) .
C28 C27 1.377(7) .
C19 C17 1.491(7) .
C8 C7 1.378(8) .
C11 C12 1.390(8) .
C22 C21 1.373(8) .
C15 C16 1.514(7) .
C13 C12 1.368(8) .
C7 C6 1.378(8) .
C1 C2 1.513(7) .
C27 C26 1.387(10) .
C26 C25 1.368(10) .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O2 Ru1 Ru2 50.42(8) . .
O2 Ru1 O1 101.09(11) . .
O2 Ru1 O3 91.75(11) . .
O2 Ru1 N3 93.07(13) . .
O2 Ru1 N2 89.56(13) . .
O2 Ru1 N1 167.12(13) . .
O1 Ru1 Ru2 50.83(8) . .
O1 Ru1 O3 89.06(11) . .
O1 Ru1 N3 94.56(12) . .
O1 Ru1 N2 168.76(13) . .
O1 Ru1 N1 89.58(13) . .
O3 Ru1 Ru2 87.39(7) . .
O3 Ru1 N3 173.30(11) . .
O3 Ru1 N2 87.02(12) . .
O3 Ru1 N1 95.65(12) . .
N3 Ru1 Ru2 99.27(9) . .
N3 Ru1 N2 88.38(12) . .
N3 Ru1 N1 78.77(13) . .
N2 Ru1 Ru2 139.35(10) . .
N2 Ru1 N1 80.33(14) . .
N1 Ru1 Ru2 140.31(10) . .
O2 Ru2 Ru1 50.44(8) . .
O2 Ru2 O4 90.88(11) . .
O2 Ru2 O1 100.93(11) . .
O2 Ru2 N5 167.47(13) . .
O2 Ru2 N4 86.66(12) . .
O2 Ru2 N6 95.53(12) . .
O4 Ru2 Ru1 88.47(7) . .
O4 Ru2 N5 89.17(12) . .
O4 Ru2 N4 94.81(12) . .
O4 Ru2 N6 171.96(11) . .
O1 Ru2 Ru1 50.64(8) . .
O1 Ru2 O4 91.31(12) . .
O1 Ru2 N5 91.59(13) . .
O1 Ru2 N4 170.19(11) . .
O1 Ru2 N6 92.23(13) . .
N5 Ru2 Ru1 142.07(10) . .
N5 Ru2 N4 80.85(13) . .
N4 Ru2 Ru1 137.06(9) . .
N6 Ru2 Ru1 99.35(9) . .
N6 Ru2 N5 83.51(12) . .
N6 Ru2 N4 80.76(13) . .
O10 Cl2 O13 111.6(5) . .
O10 Cl2 O11 93.5(9) . .
O11 Cl2 O13 109.3(6) . .
O12 Cl2 O13 115.1(4) . .
O12 Cl2 O10 119.2(7) . .
O12 Cl2 O11 105.3(8) . .
O8 Cl1 O9 107.5(5) . .
O8 Cl1 O6 108.3(6) . .
O7 Cl1 O9 111.4(5) . .
O7 Cl1 O8 107.3(7) . .
O7 Cl1 O6 115.9(7) . .
O6 Cl1 O9 106.1(5) . .
Ru2 O2 Ru1 79.14(10) . .
C29 O4 Ru2 121.2(2) . .
Ru1 O1 Ru2 78.53(10) . .
C29 O3 Ru1 122.0(2) . .
C14 N3 Ru1 125.3(3) . .
C10 N3 Ru1 114.4(3) . .
C10 N3 C14 120.3(3) . .
C5 N2 Ru1 116.7(3) . .
C5 N2 C9 119.9(3) . .
C9 N2 Ru1 123.4(3) . .
C4 N1 Ru1 103.6(2) . .
C3 N1 Ru1 110.3(3) . .
C3 N1 C4 109.1(3) . .
C1 N1 Ru1 111.6(3) . .
C1 N1 C4 110.4(4) . .
C1 N1 C3 111.5(4) . .
C23 N5 Ru2 124.0(3) . .
C19 N5 Ru2 115.9(3) . .
C19 N5 C23 119.6(4) . .
C18 N4 Ru2 104.1(2) . .
C18 N4 C15 109.1(3) . .
C15 N4 Ru2 112.5(2) . .
C17 N4 Ru2 109.7(3) . .
C17 N4 C18 112.4(3) . .
C17 N4 C15 108.9(4) . .
C24 N6 Ru2 113.8(3) . .
C28 N6 Ru2 124.8(3) . .
C28 N6 C24 121.0(4) . .
O3 C29 O4 120.8(3) . .
O5 C29 O4 119.8(3) . .
O5 C29 O3 119.4(3) . .
N2 C5 C3 117.5(4) . .
N2 C5 C6 121.1(4) . .
C6 C5 C3 121.4(4) . .
N3 C14 C13 120.9(4) . .
N5 C23 C22 121.0(4) . .
N2 C9 C8 121.3(4) . .
N3 C10 C4 115.4(3) . .
N3 C10 C11 121.4(4) . .
C11 C10 C4 123.2(4) . .
C21 C20 C19 119.5(5) . .
N1 C4 C10 109.0(3) . .
N4 C18 C24 110.3(4) . .
N6 C24 C18 116.1(3) . .
N6 C24 C25 119.9(5) . .
C25 C24 C18 123.9(5) . .
N6 C28 C27 121.0(5) . .
N5 C19 C20 121.1(4) . .
N5 C19 C17 116.9(4) . .
C20 C19 C17 121.9(4) . .
C9 C8 C7 119.0(5) . .
C10 C11 C12 118.1(5) . .
C21 C22 C23 119.4(5) . .
C16 C15 N4 115.3(4) . .
C5 C3 N1 113.9(3) . .
C12 C13 C14 118.9(4) . .
C6 C7 C8 119.3(4) . .
C13 C12 C11 120.5(4) . .
N1 C1 C2 115.2(4) . .
C28 C27 C26 118.5(6) . .
C22 C21 C20 119.4(4) . .
C7 C6 C5 119.4(5) . .
C19 C17 N4 114.2(4) . .
C25 C26 C27 120.1(5) . .
C26 C25 C24 119.4(6) . .

loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
1 0.007 0.282 0.068 41.6 12.0
2 -0.007 0.718 0.932 41.6 10.7

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.728
_oxdiff_exptl_absorpt_empirical_full_min 0.642
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_377
_database_code_depnum_ccdc_archive 'CCDC 2115484'
loop_
_audit_author_name
_audit_author_address
'Tomoyo MISAWA-SUZUKI'
;Sophia University
Japan
;
_audit_update_record             
;
2021-10-13 deposited with the CCDC.	2023-02-02 downloaded from the CCDC.
;
_audit_creation_date             2021-08-17
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_formula_moiety         'C29 H35 N6 O5 Ru2, 4(Cl O4), O'
_chemical_formula_sum            'C29 H35 Cl4 N6 O22 Ru2'
_chemical_formula_weight         1163.57
_chemical_oxdiff_usercomment     '298 K'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.58570(10)
_cell_length_b                   13.65550(10)
_cell_length_c                   13.97300(10)
_cell_angle_alpha                79.7680(10)
_cell_angle_beta                 81.3400(10)
_cell_angle_gamma                82.2290(10)
_cell_volume                     2321.76(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    18046
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      75.5590
_cell_measurement_theta_min      3.2090
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.125
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65299
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light green'
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             1166
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.067
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_av_unetI/netI     0.0386
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            27538
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.689
_diffrn_reflns_theta_min         3.241
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku Saturn724+'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     16.00 104.00   0.50    0.10    --   42.55  74.00-151.00  176
  2  ω    146.00 172.00   0.50    0.56    --  109.88  74.00-151.00   52
  3  ω     93.00 123.00   0.50    0.56    --  109.88  74.00-151.00   60
  4  ω    113.00 177.00   0.50    0.56    --  109.88  45.00 -60.00  128
  5  ω     92.00 166.00   0.50    0.56    --  109.88  45.00 -30.00  148
  6  ω     88.00 175.00   0.50    0.56    --  109.88  45.00 -90.00  174
  7  ω     88.00 177.00   0.50    0.56    --  109.88  45.00-120.00  178
  8  ω    129.00 177.00   0.50    0.56    --  109.88  15.00-180.00   96
  9  ω     71.00 126.00   0.50    0.56    --  109.88  15.00-180.00  110
 10  ω     73.00 102.00   0.50    0.56    --  109.88 -94.00   0.00   58
 11  ω     76.00 104.00   0.50    0.56    --  109.88 -94.00 120.00   56
 12  ω     65.00 122.00   0.50    0.10    --   42.55-178.00 120.00  114
 13  ω     75.00 104.00   0.50    0.56    --  109.88 -94.00  60.00   58
 14  ω     36.00  69.00   0.50    0.56    --  109.88 -94.00   0.00   66
 15  ω     78.00 104.00   0.50    0.56    --  109.88 -94.00 -60.00   52
 16  ω     37.00 101.00   0.50    0.56    --  109.88 -94.00 -90.00  128
 17  ω     37.00 103.00   0.50    0.56    --  109.88 -94.00-180.00  132
 18  ω     77.00 105.00   0.50    0.56    --  109.88-107.00-114.41   56
 19  ω     38.00  92.00   0.50    0.56    --  109.88 -77.00   0.00  108
 20  ω     50.00  96.00   0.50    0.56    --  109.88 -74.00  80.00   92
 21  ω     40.00 100.00   0.50    0.56    --  109.88 -77.00  30.00  120
 22  ω     37.00  73.00   0.50    0.56    --  109.88 -61.00  90.00   72
 23  ω     -3.00  23.00   0.50    0.10    --   42.55 -74.00  80.00   52
 24  ω     45.00  71.00   0.50    0.56    --  109.88 -77.00 -90.00   52
 25  ω     73.00  99.00   0.50    0.56    --  109.88 -77.00 -90.00   52
 26  ω     37.00  98.00   0.50    0.56    --  109.88 -77.00-180.00  122
 27  ω    -69.00  19.00   0.50    0.10    --  -42.55  74.00-151.00  176
 28  ω    -23.00  32.00   0.50    0.10    --  -42.55  57.00 -30.00  110
 29  ω    -62.00 -33.00   0.50    0.10    --  -42.55  57.00 -30.00   58
 30  ω    -36.00  31.00   0.50    0.10    --  -42.55  37.00 150.00  134
 31  ω    -47.00 -14.00   0.50    0.56    --  -90.25  45.00  60.00   66
 32  ω    -40.00 -14.00   0.50    0.56    --  -90.25  45.00 120.00   52
 33  ω    -64.00 -30.00   0.50    0.56    --  -90.25  61.00   0.00   68
 34  ω    -45.00 -20.00   0.50    0.56    --  -90.25  45.00  30.00   50
 35  ω    -48.00 -16.00   0.50    0.56    --  -90.25  45.00 -30.00   64
 36  ω    -40.00 -14.00   0.50    0.56    --  -90.25  45.00-150.00   52
 37  ω    -77.00 -52.00   0.50    0.56    --  -90.25  74.00-151.00   50
 38  ω   -166.00-141.00   0.50    0.56    --  -90.25 -45.00-120.00   50
 39  ω   -121.00 -96.00   0.50    0.56    --  -90.25 -45.00-120.00   50
 40  ω   -109.00 -24.00   0.50    0.10    --  -42.55 -74.00  80.00  170
 41  ω   -158.00 -81.00   0.50    0.56    --  -90.25 -74.00  80.00  154
;
_diffrn_measurement_device       'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'Rotating Anode'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8296
_reflns_number_total             9278
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_data_collection       'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.780
_refine_diff_density_min         -0.820
_refine_diff_density_rms         0.086
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         9278
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0398
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0719P)²+1.0137P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1149
_refine_ls_wR_factor_ref         0.1183
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C1(H1A,H1B), C4(H4A,H4B), C17(H17A,H17B), C3(H3A,H3B),
 C15(H15A,H15B)
2.b Aromatic/amide H refined with riding coordinates:
 C28(H28), C14(H14), C22(H22), C23(H23), C6(H6), C27(H27), C7(H7), C21(H21),
 C20(H20), C11(H11), C9(H9), C25(H25), C8(H8), C26(H26), C13(H13), C12(H12)
2.c Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C16(H16A,H16B,H16C)
2.d Idealised tetrahedral OH refined as rotating group:
 O5(H5)
;
# start Validation Reply Form
_vrf_PLAT306_exp_377             
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O22 Check 
RESPONSE: O22 should be a water molecule although two H-atoms were not
found.
;
# end Validation Reply Form
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.69772(2) 0.27154(2) 0.22007(2) 0.03850(9) Uani 1 1 d . . . . .
Ru2 Ru 0.68211(2) 0.10749(2) 0.18076(2) 0.03969(9) Uani 1 1 d . . . . .
Cl4 Cl 0.05622(11) 0.30099(10) 0.89091(10) 0.0866(3) Uani 1 1 d . . . . .
Cl2 Cl 0.43939(12) 0.66209(9) 0.19030(9) 0.0814(3) Uani 1 1 d . . . . .
Cl3 Cl 1.23222(19) -0.0357(2) 0.41677(12) 0.1505(10) Uani 1 1 d . . . . .
O2 O 0.71661(19) 0.22847(16) 0.09603(16) 0.0446(5) Uani 1 1 d . . . . .
Cl1 Cl 0.1883(3) 0.32342(18) 0.48725(16) 0.1554(10) Uani 1 1 d . . . . .
O1 O 0.6723(2) 0.14823(17) 0.30541(17) 0.0465(5) Uani 1 1 d . . . . .
O5 O 0.3766(2) 0.2607(2) 0.1931(3) 0.0663(7) Uani 1 1 d . . . . .
H5 H 0.356718 0.314972 0.211068 0.099 Uiso 1 1 calc R U . . .
O4 O 0.51914(19) 0.15283(17) 0.1782(2) 0.0522(6) Uani 1 1 d . . . . .
O3 O 0.53330(19) 0.30449(17) 0.2138(2) 0.0510(5) Uani 1 1 d . . . . .
N3 N 0.8594(2) 0.2566(2) 0.2323(2) 0.0502(6) Uani 1 1 d . . . . .
N6 N 0.8406(2) 0.0456(2) 0.1792(2) 0.0468(6) Uani 1 1 d . . . . .
N1 N 0.7369(3) 0.4150(2) 0.1463(2) 0.0487(6) Uani 1 1 d . . . . .
N5 N 0.6735(2) 0.0402(2) 0.0597(2) 0.0474(6) Uani 1 1 d . . . . .
N2 N 0.6717(2) 0.3484(2) 0.3387(2) 0.0482(6) Uani 1 1 d . . . . .
N4 N 0.6608(2) -0.0412(2) 0.2535(2) 0.0504(6) Uani 1 1 d . . . . .
C28 C 0.9246(3) 0.0791(3) 0.1156(3) 0.0555(8) Uani 1 1 d . . . . .
H28 H 0.912909 0.134953 0.068046 0.067 Uiso 1 1 calc R U . . .
C19 C 0.6639(3) -0.0579(3) 0.0767(3) 0.0511(7) Uani 1 1 d . . . . .
O22 O 0.2979(3) 0.4286(3) 0.2461(3) 0.0984(12) Uani 1 1 d . . . . .
C18 C 0.7554(3) -0.0696(3) 0.3096(3) 0.0572(8) Uani 1 1 d . . . . .
H18A H 0.764287 -0.141523 0.330614 0.069 Uiso 1 1 calc R U . . .
H18B H 0.742902 -0.037548 0.367558 0.069 Uiso 1 1 calc R U . . .
C10 C 0.9148(3) 0.3241(3) 0.1682(3) 0.0623(9) Uani 1 1 d . . . . .
C14 C 0.9078(4) 0.1915(3) 0.3008(3) 0.0663(10) Uani 1 1 d . . . . .
H14 H 0.867171 0.148146 0.346176 0.080 Uiso 1 1 calc R U . . .
C24 C 0.8558(3) -0.0375(3) 0.2460(3) 0.0539(8) Uani 1 1 d . . . . .
C5 C 0.6895(3) 0.4450(3) 0.3199(3) 0.0497(7) Uani 1 1 d . . . . .
C22 C 0.6656(3) 0.0447(3) -0.1101(3) 0.0624(9) Uani 1 1 d . . . . .
H22 H 0.666534 0.080615 -0.173321 0.075 Uiso 1 1 calc R U . . .
C23 C 0.6731(3) 0.0919(3) -0.0318(3) 0.0526(8) Uani 1 1 d . . . . .
H23 H 0.677876 0.160435 -0.042540 0.063 Uiso 1 1 calc R U . . .
C1 C 0.6614(4) 0.4580(3) 0.0710(3) 0.0686(11) Uani 1 1 d . . . . .
H1A H 0.589930 0.474785 0.104882 0.082 Uiso 1 1 calc R U . . .
H1B H 0.656109 0.407068 0.032154 0.082 Uiso 1 1 calc R U . . .
C4 C 0.8504(3) 0.3930(3) 0.0977(3) 0.0618(10) Uani 1 1 d . . . . .
H4A H 0.849337 0.362386 0.040390 0.074 Uiso 1 1 calc R U . . .
H4B H 0.883227 0.454882 0.076572 0.074 Uiso 1 1 calc R U . . .
C29 C 0.4797(3) 0.2389(3) 0.1960(3) 0.0512(7) Uani 1 1 d . . . . .
C17 C 0.6657(4) -0.1104(3) 0.1798(4) 0.0726(12) Uani 1 1 d . . . . .
H17A H 0.731271 -0.156538 0.182954 0.087 Uiso 1 1 calc R U . . .
H17B H 0.604801 -0.149501 0.197734 0.087 Uiso 1 1 calc R U . . .
O20 O -0.0485(5) 0.2709(5) 0.9032(5) 0.155(2) Uani 1 1 d . . . . .
C6 C 0.6678(4) 0.5037(3) 0.3926(3) 0.0680(10) Uani 1 1 d . . . . .
H6 H 0.676989 0.571386 0.378407 0.082 Uiso 1 1 calc R U . . .
C3 C 0.7341(4) 0.4859(3) 0.2184(3) 0.0625(10) Uani 1 1 d . . . . .
H3A H 0.807034 0.501489 0.218566 0.075 Uiso 1 1 calc R U . . .
H3B H 0.690671 0.547862 0.196646 0.075 Uiso 1 1 calc R U . . .
C27 C 1.0278(3) 0.0310(4) 0.1208(4) 0.0740(12) Uani 1 1 d . . . . .
H27 H 1.085597 0.054221 0.076973 0.089 Uiso 1 1 calc R U . . .
C7 C 0.6322(5) 0.4603(4) 0.4871(3) 0.0804(13) Uani 1 1 d . . . . .
H7 H 0.619392 0.498183 0.537664 0.096 Uiso 1 1 calc R U . . .
C21 C 0.6568(4) -0.0566(4) -0.0922(4) 0.0700(11) Uani 1 1 d . . . . .
H21 H 0.652094 -0.089940 -0.143745 0.084 Uiso 1 1 calc R U . . .
O18 O 0.1084(6) 0.3026(4) 0.7960(4) 0.152(3) Uani 1 1 d . . . . .
C20 C 0.6549(4) -0.1080(3) 0.0011(4) 0.0675(11) Uani 1 1 d . . . . .
H20 H 0.647604 -0.176148 0.013681 0.081 Uiso 1 1 calc R U . . .
C11 C 1.0249(4) 0.3238(5) 0.1721(5) 0.0963(19) Uani 1 1 d . . . . .
H11 H 1.064021 0.370841 0.130114 0.116 Uiso 1 1 calc R U . . .
C15 C 0.5567(4) -0.0449(3) 0.3227(4) 0.0754(12) Uani 1 1 d . . . . .
H15A H 0.496579 -0.031278 0.284491 0.090 Uiso 1 1 calc R U . . .
H15B H 0.550601 0.007867 0.362132 0.090 Uiso 1 1 calc R U . . .
C9 C 0.6353(4) 0.3075(3) 0.4304(3) 0.0655(10) Uani 1 1 d . . . . .
H9 H 0.622791 0.240524 0.443187 0.079 Uiso 1 1 calc R U . . .
C25 C 0.9572(4) -0.0865(4) 0.2529(4) 0.0772(12) Uani 1 1 d . . . . .
H25 H 0.967388 -0.143613 0.299363 0.093 Uiso 1 1 calc R U . . .
C8 C 0.6161(5) 0.3623(4) 0.5057(3) 0.0823(14) Uani 1 1 d . . . . .
H8 H 0.592145 0.332407 0.568994 0.099 Uiso 1 1 calc R U . . .
O10 O 0.4534(5) 0.5668(4) 0.2518(4) 0.1346(19) Uani 1 1 d . . . . .
O19 O 0.0449(6) 0.3933(4) 0.9196(5) 0.157(3) Uani 1 1 d . . . . .
C2 C 0.6969(6) 0.5516(4) 0.0018(4) 0.1003(19) Uani 1 1 d . . . . .
H2A H 0.758560 0.532685 -0.043258 0.150 Uiso 1 1 calc R U . . .
H2B H 0.715634 0.597570 0.039413 0.150 Uiso 1 1 calc R U . . .
H2C H 0.638668 0.582969 -0.034093 0.150 Uiso 1 1 calc R U . . .
C26 C 1.0442(4) -0.0511(4) 0.1910(5) 0.0871(15) Uani 1 1 d . . . . .
H26 H 1.113682 -0.082699 0.196756 0.105 Uiso 1 1 calc R U . . .
C13 C 1.0164(5) 0.1884(5) 0.3045(5) 0.0984(19) Uani 1 1 d . . . . .
H13 H 1.049370 0.142514 0.351721 0.118 Uiso 1 1 calc R U . . .
O15 O 1.2418(7) 0.0286(7) 0.3344(4) 0.181(3) Uani 1 1 d . . . . .
C16 C 0.5471(5) -0.1446(4) 0.3912(6) 0.110(2) Uani 1 1 d . . . . .
H16A H 0.559558 -0.198121 0.353215 0.165 Uiso 1 1 calc R U . . .
H16B H 0.475903 -0.144151 0.427347 0.165 Uiso 1 1 calc R U . . .
H16C H 0.599796 -0.154257 0.435991 0.165 Uiso 1 1 calc R U . . .
C12 C 1.0754(5) 0.2520(6) 0.2396(6) 0.114(2) Uani 1 1 d . . . . .
H12 H 1.149673 0.247988 0.239937 0.137 Uiso 1 1 calc R U . . .
O13 O 0.3620(10) 0.7253(6) 0.2318(7) 0.254(6) Uani 1 1 d . . . . .
O14 O 1.1366(8) -0.0148(8) 0.4683(9) 0.289(8) Uani 1 1 d . . . . .
O6 O 0.3093(9) 0.3228(9) 0.4651(9) 0.248(5) Uani 1 1 d . . . . .
O7 O 0.1551(9) 0.4027(10) 0.4270(8) 0.289(7) Uani 1 1 d . . . . .
O21 O 0.1077(8) 0.2229(7) 0.9508(6) 0.224(5) Uani 1 1 d . . . . .
O12 O 0.5353(9) 0.6987(7) 0.1776(11) 0.281(7) Uani 1 1 d . . . . .
O8 O 0.1674(11) 0.3279(8) 0.5829(5) 0.255(6) Uani 1 1 d . . . . .
O16 O 1.3053(11) -0.0265(11) 0.4789(6) 0.328(9) Uani 1 1 d . . . . .
O11 O 0.4227(12) 0.6506(9) 0.1056(7) 0.287(7) Uani 1 1 d . . . . .
O17 O 1.2624(10) -0.1325(8) 0.3875(12) 0.295(7) Uani 1 1 d . . . . .
O9 O 0.1556(18) 0.2395(11) 0.4709(13) 0.418(12) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 Ru2 2.4388(3) .
Ru1 O2 1.899(2) .
Ru1 O1 1.918(2) .
Ru1 O3 2.069(2) .
Ru1 N3 2.047(3) .
Ru1 N1 2.129(3) .
Ru1 N2 2.077(3) .
Ru2 O2 1.914(2) .
Ru2 O1 1.903(2) .
Ru2 O4 2.065(2) .
Ru2 N6 2.057(3) .
Ru2 N5 2.086(3) .
Ru2 N4 2.135(3) .
Cl4 O20 1.410(6) .
Cl4 O18 1.387(5) .
Cl4 O19 1.372(5) .
Cl4 O21 1.384(7) .
Cl2 O10 1.432(5) .
Cl2 O13 1.346(7) .
Cl2 O12 1.343(9) .
Cl2 O11 1.272(7) .
Cl3 O15 1.319(7) .
Cl3 O14 1.330(8) .
Cl3 O16 1.388(11) .
Cl3 O17 1.437(11) .
Cl1 O6 1.507(11) .
Cl1 O7 1.310(8) .
Cl1 O8 1.334(7) .
Cl1 O9 1.336(11) .
O5 H5 0.8200 .
O5 C29 1.297(4) .
O4 C29 1.265(4) .
O3 C29 1.269(4) .
N3 C10 1.352(5) .
N3 C14 1.343(5) .
N6 C28 1.349(5) .
N6 C24 1.347(5) .
N1 C1 1.511(5) .
N1 C4 1.502(5) .
N1 C3 1.510(5) .
N5 C19 1.338(4) .
N5 C23 1.346(5) .
N2 C5 1.341(5) .
N2 C9 1.343(5) .
N4 C18 1.493(5) .
N4 C17 1.506(5) .
N4 C15 1.509(5) .
C28 H28 0.9300 .
C28 C27 1.380(6) .
C19 C17 1.492(6) .
C19 C20 1.382(6) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C18 C24 1.501(5) .
C10 C4 1.490(7) .
C10 C11 1.394(6) .
C14 H14 0.9300 .
C14 C13 1.370(7) .
C24 C25 1.367(6) .
C5 C6 1.377(5) .
C5 C3 1.485(5) .
C22 H22 0.9300 .
C22 C23 1.386(5) .
C22 C21 1.378(6) .
C23 H23 0.9300 .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C1 C2 1.533(6) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C6 H6 0.9300 .
C6 C7 1.382(7) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C27 H27 0.9300 .
C27 C26 1.366(8) .
C7 H7 0.9300 .
C7 C8 1.354(7) .
C21 H21 0.9300 .
C21 C20 1.365(7) .
C20 H20 0.9300 .
C11 H11 0.9300 .
C11 C12 1.392(10) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C15 C16 1.527(6) .
C9 H9 0.9300 .
C9 C8 1.370(6) .
C25 H25 0.9300 .
C25 C26 1.375(7) .
C8 H8 0.9300 .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C26 H26 0.9300 .
C13 H13 0.9300 .
C13 C12 1.350(10) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C12 H12 0.9300 .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O2 Ru1 Ru2 50.51(7) . .
O2 Ru1 O1 100.46(9) . .
O2 Ru1 O3 90.27(10) . .
O2 Ru1 N3 95.02(11) . .
O2 Ru1 N1 88.37(10) . .
O2 Ru1 N2 167.98(11) . .
O1 Ru1 Ru2 50.05(7) . .
O1 Ru1 O3 89.91(10) . .
O1 Ru1 N3 94.33(12) . .
O1 Ru1 N1 170.02(11) . .
O1 Ru1 N2 90.99(11) . .
O3 Ru1 Ru2 87.43(6) . .
O3 Ru1 N1 94.74(11) . .
O3 Ru1 N2 86.05(11) . .
N3 Ru1 Ru2 100.02(8) . .
N3 Ru1 O3 172.51(10) . .
N3 Ru1 N1 80.15(12) . .
N3 Ru1 N2 87.70(12) . .
N1 Ru1 Ru2 138.87(8) . .
N2 Ru1 Ru2 140.49(8) . .
N2 Ru1 N1 80.55(11) . .
O2 Ru2 Ru1 49.97(7) . .
O2 Ru2 O4 90.35(10) . .
O2 Ru2 N6 94.28(11) . .
O2 Ru2 N5 90.49(11) . .
O2 Ru2 N4 169.10(11) . .
O1 Ru2 Ru1 50.60(7) . .
O1 Ru2 O2 100.47(9) . .
O1 Ru2 O4 89.70(10) . .
O1 Ru2 N6 94.86(11) . .
O1 Ru2 N5 168.25(11) . .
O1 Ru2 N4 89.02(11) . .
O4 Ru2 Ru1 87.33(6) . .
O4 Ru2 N5 85.97(11) . .
O4 Ru2 N4 95.10(11) . .
N6 Ru2 Ru1 99.86(8) . .
N6 Ru2 O4 172.81(10) . .
N6 Ru2 N5 88.49(11) . .
N6 Ru2 N4 79.45(11) . .
N5 Ru2 Ru1 139.83(8) . .
N5 Ru2 N4 80.51(12) . .
N4 Ru2 Ru1 139.58(9) . .
O18 Cl4 O20 113.1(4) . .
O19 Cl4 O20 106.6(4) . .
O19 Cl4 O18 112.1(4) . .
O19 Cl4 O21 116.1(6) . .
O21 Cl4 O20 100.6(6) . .
O21 Cl4 O18 108.0(5) . .
O13 Cl2 O10 111.9(4) . .
O12 Cl2 O10 105.8(6) . .
O12 Cl2 O13 109.9(8) . .
O11 Cl2 O10 110.0(6) . .
O11 Cl2 O13 112.8(8) . .
O11 Cl2 O12 106.0(10) . .
O15 Cl3 O14 109.5(6) . .
O15 Cl3 O16 112.5(8) . .
O15 Cl3 O17 104.9(7) . .
O14 Cl3 O16 103.4(8) . .
O14 Cl3 O17 120.7(9) . .
O16 Cl3 O17 106.0(7) . .
Ru1 O2 Ru2 79.52(9) . .
O7 Cl1 O6 101.5(7) . .
O7 Cl1 O8 117.0(9) . .
O7 Cl1 O9 112.8(10) . .
O8 Cl1 O6 104.1(7) . .
O8 Cl1 O9 108.9(9) . .
O9 Cl1 O6 112.0(11) . .
Ru2 O1 Ru1 79.34(9) . .
C29 O5 H5 109.5 . .
C29 O4 Ru2 120.2(2) . .
C29 O3 Ru1 119.8(2) . .
C10 N3 Ru1 113.8(3) . .
C14 N3 Ru1 124.8(3) . .
C14 N3 C10 121.2(4) . .
C28 N6 Ru2 125.4(3) . .
C24 N6 Ru2 114.2(2) . .
C24 N6 C28 120.3(3) . .
C1 N1 Ru1 111.0(2) . .
C4 N1 Ru1 103.0(2) . .
C4 N1 C1 110.9(3) . .
C4 N1 C3 110.2(3) . .
C3 N1 Ru1 110.9(2) . .
C3 N1 C1 110.5(3) . .
C19 N5 Ru2 117.0(3) . .
C19 N5 C23 120.1(3) . .
C23 N5 Ru2 122.9(2) . .
C5 N2 Ru1 116.8(2) . .
C5 N2 C9 119.5(3) . .
C9 N2 Ru1 123.6(3) . .
C18 N4 Ru2 103.6(2) . .
C18 N4 C17 109.8(3) . .
C18 N4 C15 110.1(3) . .
C17 N4 Ru2 110.5(2) . .
C17 N4 C15 110.7(4) . .
C15 N4 Ru2 111.9(2) . .
N6 C28 H28 119.8 . .
N6 C28 C27 120.4(4) . .
C27 C28 H28 119.8 . .
N5 C19 C17 117.1(3) . .
N5 C19 C20 120.9(4) . .
C20 C19 C17 122.0(3) . .
N4 C18 H18A 109.7 . .
N4 C18 H18B 109.7 . .
N4 C18 C24 109.6(3) . .
H18A C18 H18B 108.2 . .
C24 C18 H18A 109.7 . .
C24 C18 H18B 109.7 . .
N3 C10 C4 115.5(3) . .
N3 C10 C11 119.0(5) . .
C11 C10 C4 125.5(5) . .
N3 C14 H14 119.7 . .
N3 C14 C13 120.7(5) . .
C13 C14 H14 119.7 . .
N6 C24 C18 115.3(3) . .
N6 C24 C25 120.4(4) . .
C25 C24 C18 124.3(4) . .
N2 C5 C6 121.0(4) . .
N2 C5 C3 117.6(3) . .
C6 C5 C3 121.4(3) . .
C23 C22 H22 120.8 . .
C21 C22 H22 120.8 . .
C21 C22 C23 118.5(4) . .
N5 C23 C22 121.1(4) . .
N5 C23 H23 119.4 . .
C22 C23 H23 119.4 . .
N1 C1 H1A 108.7 . .
N1 C1 H1B 108.7 . .
N1 C1 C2 114.0(4) . .
H1A C1 H1B 107.6 . .
C2 C1 H1A 108.7 . .
C2 C1 H1B 108.7 . .
N1 C4 H4A 109.8 . .
N1 C4 H4B 109.8 . .
C10 C4 N1 109.5(3) . .
C10 C4 H4A 109.8 . .
C10 C4 H4B 109.8 . .
H4A C4 H4B 108.2 . .
O4 C29 O5 115.9(3) . .
O4 C29 O3 125.2(3) . .
O3 C29 O5 118.9(3) . .
N4 C17 H17A 108.7 . .
N4 C17 H17B 108.7 . .
C19 C17 N4 114.0(3) . .
C19 C17 H17A 108.7 . .
C19 C17 H17B 108.7 . .
H17A C17 H17B 107.6 . .
C5 C6 H6 120.5 . .
C5 C6 C7 118.9(4) . .
C7 C6 H6 120.5 . .
N1 C3 H3A 108.9 . .
N1 C3 H3B 108.9 . .
C5 C3 N1 113.3(3) . .
C5 C3 H3A 108.9 . .
C5 C3 H3B 108.9 . .
H3A C3 H3B 107.7 . .
C28 C27 H27 120.3 . .
C26 C27 C28 119.4(4) . .
C26 C27 H27 120.3 . .
C6 C7 H7 120.2 . .
C8 C7 C6 119.6(4) . .
C8 C7 H7 120.2 . .
C22 C21 H21 120.0 . .
C20 C21 C22 120.0(4) . .
C20 C21 H21 120.0 . .
C19 C20 H20 120.3 . .
C21 C20 C19 119.4(4) . .
C21 C20 H20 120.3 . .
C10 C11 H11 120.4 . .
C12 C11 C10 119.1(6) . .
C12 C11 H11 120.4 . .
N4 C15 H15A 108.7 . .
N4 C15 H15B 108.7 . .
N4 C15 C16 114.2(4) . .
H15A C15 H15B 107.6 . .
C16 C15 H15A 108.7 . .
C16 C15 H15B 108.7 . .
N2 C9 H9 119.3 . .
N2 C9 C8 121.4(4) . .
C8 C9 H9 119.3 . .
C24 C25 H25 120.1 . .
C24 C25 C26 119.8(5) . .
C26 C25 H25 120.1 . .
C7 C8 C9 119.5(4) . .
C7 C8 H8 120.2 . .
C9 C8 H8 120.2 . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2B 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C27 C26 C25 119.5(4) . .
C27 C26 H26 120.2 . .
C25 C26 H26 120.2 . .
C14 C13 H13 120.1 . .
C12 C13 C14 119.9(6) . .
C12 C13 H13 120.1 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C11 C12 H12 120.0 . .
C13 C12 C11 119.9(5) . .
C13 C12 H12 120.0 . .

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Ru1 O3 C29 O5 179.5(3) . . . .
Ru1 O3 C29 O4 -2.3(5) . . . .
Ru1 N3 C10 C4 -2.9(4) . . . .
Ru1 N3 C10 C11 177.6(4) . . . .
Ru1 N3 C14 C13 -178.6(3) . . . .
Ru1 N1 C1 C2 -169.2(4) . . . .
Ru1 N1 C4 C10 -44.3(3) . . . .
Ru1 N1 C3 C5 -8.7(4) . . . .
Ru1 N2 C5 C6 175.8(3) . . . .
Ru1 N2 C5 C3 -4.7(5) . . . .
Ru1 N2 C9 C8 -177.9(4) . . . .
Ru2 O4 C29 O5 -179.8(3) . . . .
Ru2 O4 C29 O3 2.0(5) . . . .
Ru2 N6 C28 C27 -179.4(3) . . . .
Ru2 N6 C24 C18 -0.4(4) . . . .
Ru2 N6 C24 C25 179.9(3) . . . .
Ru2 N5 C19 C17 -3.0(4) . . . .
Ru2 N5 C19 C20 178.3(3) . . . .
Ru2 N5 C23 C22 -179.0(3) . . . .
Ru2 N4 C18 C24 -43.8(3) . . . .
Ru2 N4 C17 C19 -10.4(5) . . . .
Ru2 N4 C15 C16 -168.7(5) . . . .
O1 Ru1 O2 Ru2 3.51(9) . . . .
O3 Ru1 O2 Ru2 -86.45(9) . . . .
N3 Ru1 O2 Ru2 98.86(10) . . . .
N3 C10 C4 N1 33.5(4) . . . .
N3 C10 C11 C12 2.0(8) . . . .
N3 C14 C13 C12 0.8(8) . . . .
N6 C28 C27 C26 0.0(7) . . . .
N6 C24 C25 C26 -0.4(7) . . . .
N1 Ru1 O2 Ru2 178.82(10) . . . .
N5 C19 C17 N4 9.1(6) . . . .
N5 C19 C20 C21 0.5(6) . . . .
N2 Ru1 O2 Ru2 -158.5(5) . . . .
N2 C5 C6 C7 3.2(7) . . . .
N2 C5 C3 N1 9.0(5) . . . .
N2 C9 C8 C7 1.2(9) . . . .
N4 C18 C24 N6 31.3(4) . . . .
N4 C18 C24 C25 -149.0(4) . . . .
C28 N6 C24 C18 -177.5(3) . . . .
C28 N6 C24 C25 2.8(6) . . . .
C28 C27 C26 C25 2.3(8) . . . .
C19 N5 C23 C22 -1.8(5) . . . .
C18 N4 C17 C19 -124.1(4) . . . .
C18 N4 C15 C16 -54.1(6) . . . .
C18 C24 C25 C26 179.9(5) . . . .
C10 N3 C14 C13 -3.3(6) . . . .
C10 C11 C12 C13 -4.5(9) . . . .
C14 N3 C10 C4 -178.7(3) . . . .
C14 N3 C10 C11 1.8(6) . . . .
C14 C13 C12 C11 3.0(10) . . . .
C24 N6 C28 C27 -2.6(5) . . . .
C24 C25 C26 C27 -2.2(8) . . . .
C5 N2 C9 C8 -0.2(7) . . . .
C5 C6 C7 C8 -2.1(8) . . . .
C22 C21 C20 C19 -1.2(7) . . . .
C23 N5 C19 C17 179.6(4) . . . .
C23 N5 C19 C20 1.0(5) . . . .
C23 C22 C21 C20 0.4(7) . . . .
C1 N1 C4 C10 -163.1(3) . . . .
C1 N1 C3 C5 114.8(4) . . . .
C4 N1 C1 C2 -55.3(5) . . . .
C4 N1 C3 C5 -122.2(4) . . . .
C4 C10 C11 C12 -177.4(5) . . . .
C17 N4 C18 C24 74.3(4) . . . .
C17 N4 C15 C16 67.6(6) . . . .
C17 C19 C20 C21 -178.1(4) . . . .
C6 C5 C3 N1 -171.5(4) . . . .
C6 C7 C8 C9 0.0(9) . . . .
C3 N1 C1 C2 67.3(5) . . . .
C3 N1 C4 C10 74.2(4) . . . .
C3 C5 C6 C7 -176.3(5) . . . .
C21 C22 C23 N5 1.1(6) . . . .
C20 C19 C17 N4 -172.2(4) . . . .
C11 C10 C4 N1 -147.1(4) . . . .
C15 N4 C18 C24 -163.6(3) . . . .
C15 N4 C17 C19 114.1(4) . . . .
C9 N2 C5 C6 -2.0(6) . . . .
C9 N2 C5 C3 177.5(4) . . . .

loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
1 0.000 0.500 0.500 228.2 74.4

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
